HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=968",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=966",
"results": [
{
"id": "jvasp-116963",
"created_at": "2022-09-04T14:38:47.717465Z",
"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ca",
"Mn"
],
"chemical_system": "Ca-Mn",
"density": 8.126210290296271,
"density_atomic": 0.08991569328731767,
"volume": 322.52434408010464,
"volume_molar": 6.697541374403665,
"formula_full": "Ca1 Mn28",
"formula_reduced": "CaMn28",
"formula_anonymous": "AB28",
"energy_above_hull": 5.241543213055886,
"spacegroup": 217
},
{
"id": "jvasp-117170",
"created_at": "2022-09-04T14:38:48.797715Z",
"updated_at": "2022-09-04T14:38:48.797724Z",
"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Yb",
"Mn"
],
"chemical_system": "Mn-Yb",
"density": 8.872746840113457,
"density_atomic": 0.09054813412463526,
"volume": 320.27164646024465,
"volume_molar": 6.650761849726031,
"formula_full": "Yb1 Mn28",
"formula_reduced": "YbMn28",
"formula_anonymous": "AB28",
"energy_above_hull": 5.224571153745541,
"spacegroup": 217
},
{
"id": "jvasp-120462",
"created_at": "2022-09-04T14:38:38.729070Z",
"updated_at": "2022-09-04T14:38:38.729097Z",
"structure_string": "Tm2 Al20 Fe4\n1.0\n6.730589 -0.002427 0.000000\n-0.830900 6.679104 0.000000\n-0.000000 0.000000 8.949967\nTm Al Fe\n2 20 4\ndirect\n0.872759 0.127241 0.750000 Tm\n0.127241 0.872758 0.250000 Tm\n0.478055 0.217796 0.250000 Al\n0.521945 0.782202 0.750000 Al\n0.782203 0.521945 0.250000 Al\n0.217797 0.478054 0.750000 Al\n0.581817 0.861713 0.250000 Al\n0.418183 0.138286 0.750000 Al\n0.138286 0.418183 0.250000 Al\n0.861714 0.581816 0.750000 Al\n0.845348 0.154651 0.403096 Al\n0.154652 0.845348 0.596905 Al\n0.845348 0.154651 0.096904 Al\n0.227622 0.227622 -0.000000 Al\n0.772378 0.772377 -0.000000 Al\n0.772378 0.772377 0.500000 Al\n0.227622 0.227622 0.500000 Al\n0.626873 0.373127 0.954254 Al\n0.373127 0.626872 0.045747 Al\n0.373127 0.626872 0.454254 Al\n0.626873 0.373127 0.545747 Al\n0.154652 0.845348 0.903096 Al\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tm",
"density": 4.54376154426024,
"density_atomic": 0.06462493496112177,
"volume": 402.3214880702247,
"volume_molar": 9.318602430505976,
"formula_full": "Tm2 Al20 Fe4",
"formula_reduced": "Tm(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.3437725576923074,
"spacegroup": 63
},
{
"id": "jvasp-116587",
"created_at": "2022-09-04T14:38:43.748181Z",
"updated_at": "2022-09-04T14:38:43.748205Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n6.846541 0.013532 0.000000\n-0.804727 6.799097 0.000000\n0.000000 0.000000 9.159701\nTb Al Ru\n2 20 4\ndirect\n0.871927 0.128072 0.750000 Tb\n0.128072 0.871928 0.250000 Tb\n0.480845 0.217604 0.250000 Al\n0.519155 0.782396 0.750000 Al\n0.782396 0.519155 0.250000 Al\n0.217604 0.480845 0.750000 Al\n0.583781 0.853780 0.250000 Al\n0.416218 0.146221 0.750000 Al\n0.146220 0.416218 0.250000 Al\n0.853779 0.583782 0.750000 Al\n0.844775 0.155225 0.398959 Al\n0.155225 0.844775 0.601041 Al\n0.844775 0.155225 0.101041 Al\n0.224964 0.224964 -0.000000 Al\n0.775036 0.775036 -0.000000 Al\n0.775036 0.775036 0.500000 Al\n0.224964 0.224964 0.500000 Al\n0.624164 0.375836 0.954160 Al\n0.375836 0.624164 0.045840 Al\n0.375836 0.624164 0.454160 Al\n0.624164 0.375836 0.545840 Al\n0.155225 0.844775 0.898959 Al\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tb",
"density": 4.912708874857911,
"density_atomic": 0.060963236762669785,
"volume": 426.48654140885174,
"volume_molar": 9.878315325421822,
"formula_full": "Tb2 Al20 Ru4",
"formula_reduced": "Tb(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.541484415384616,
"spacegroup": 63
},
{
"id": "jvasp-21824",
"created_at": "2022-09-04T14:37:30.578901Z",
"updated_at": "2022-09-04T14:37:30.578929Z",
"structure_string": "Yb2 Al20 Fe4\n1.0\n6.784373 -0.009302 -0.000000\n-0.848409 6.731122 0.000000\n0.000000 0.000000 9.009835\nYb Al Fe\n2 20 4\ndirect\n0.122906 0.877094 0.750000 Yb\n0.877093 0.122906 0.250000 Yb\n0.626648 0.373352 0.455106 Al\n0.373352 0.626648 0.955106 Al\n0.156235 0.843765 0.096337 Al\n0.843764 0.156235 0.596336 Al\n0.843764 0.156235 0.903663 Al\n0.156235 0.843765 0.403663 Al\n0.780857 0.525534 0.750000 Al\n0.525534 0.780858 0.250000 Al\n0.227511 0.227512 0.500000 Al\n0.134022 0.416552 0.750000 Al\n0.865978 0.583448 0.250000 Al\n0.416552 0.134022 0.250000 Al\n0.583447 0.865978 0.750000 Al\n0.626648 0.373352 0.044893 Al\n0.373352 0.626648 0.544893 Al\n0.227511 0.227512 0.000000 Al\n0.772488 0.772488 0.500000 Al\n0.772488 0.772488 0.000000 Al\n0.474466 0.219142 0.750000 Al\n0.219142 0.474466 0.250000 Al\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Yb",
"density": 4.476898333117715,
"density_atomic": 0.06320251940826642,
"volume": 411.3760059476267,
"volume_molar": 9.52832389655079,
"formula_full": "Yb2 Al20 Fe4",
"formula_reduced": "Yb(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.1449822846153843,
"spacegroup": 63
},
{
"id": "jvasp-87007",
"created_at": "2022-09-04T14:36:22.006323Z",
"updated_at": "2022-09-04T14:36:22.006350Z",
"structure_string": "Ce2 Ga10 Ni1\n1.0\n4.292688 -0.000000 -0.684378\n-0.109110 4.291302 -0.684378\n-0.077968 -0.079975 13.315857\nCe Ga Ni\n2 10 1\ndirect\n0.642310 0.642310 0.284620 Ce\n0.357690 0.357691 0.715380 Ce\n0.803447 0.803447 0.606894 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.950652 0.450653 0.901304 Ga\n0.450652 0.950653 0.901304 Ga\n0.049348 0.549348 0.098696 Ga\n0.549348 0.049348 0.098696 Ga\n0.103973 0.103973 0.207945 Ga\n0.896027 0.896028 0.792055 Ga\n0.196553 0.196553 0.393106 Ga\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ni"
],
"chemical_system": "Ce-Ga-Ni",
"density": 7.027797428944117,
"density_atomic": 0.05309927543092596,
"volume": 244.8244329983563,
"volume_molar": 11.341286130794542,
"formula_full": "Ce2 Ga10 Ni1",
"formula_reduced": "Ce2Ga10Ni",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.0626789730769228,
"spacegroup": 139
},
{
"id": "jvasp-10908",
"created_at": "2022-09-04T14:37:02.709612Z",
"updated_at": "2022-09-04T14:37:02.709628Z",
"structure_string": "Ca1 Ti2 F10\n1.0\n5.165160 -0.025726 1.970249\n1.079438 5.051174 1.970249\n0.050313 0.040489 7.766899\nCa Ti F\n1 2 10\ndirect\n0.456690 0.543309 0.750000 Ca\n0.982678 0.985466 0.011650 Ti\n0.014532 0.017323 0.488351 Ti\n0.171445 0.269058 0.885532 F\n0.730942 0.828554 0.614469 F\n0.798002 0.726158 0.136725 F\n0.273840 0.201998 0.363275 F\n0.066511 0.933489 0.750000 F\n0.949975 0.050025 0.250000 F\n0.255901 0.695425 0.498439 F\n0.304575 0.744098 0.001561 F\n0.767572 0.313435 0.546774 F\n0.686564 0.232427 0.953226 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"F"
],
"chemical_system": "Ca-F-Ti",
"density": 2.6778608098820107,
"density_atomic": 0.06434820900421842,
"volume": 202.02582482362126,
"volume_molar": 9.358676571099611,
"formula_full": "Ca1 Ti2 F10",
"formula_reduced": "CaTi2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.3302145741025642,
"spacegroup": 5
},
{
"id": "jvasp-98376",
"created_at": "2022-09-04T14:36:12.264092Z",
"updated_at": "2022-09-04T14:36:12.264118Z",
"structure_string": "K8 Pd4 Se40\n1.0\n10.714796 -0.000000 6.140979\n5.348569 11.284944 3.085895\n-0.254061 -0.017738 12.861378\nK Pd Se\n8 4 40\ndirect\n0.981457 0.056159 0.229052 K\n0.518544 0.770948 0.943841 K\n0.037625 0.943841 0.729044 K\n0.733333 0.729052 0.556159 K\n0.210510 0.556159 0.770955 K\n0.462376 0.270955 0.056159 K\n0.766668 0.443841 0.270948 K\n0.289490 0.229044 0.443841 K\n0.124994 0.250000 0.250000 Pd\n0.624996 0.250000 0.250000 Pd\n0.375007 0.750000 0.750000 Pd\n0.875005 0.750000 0.750000 Pd\n0.374674 0.587549 0.898993 Se\n0.811772 0.029905 0.542138 Se\n0.968397 0.309932 0.672413 Se\n0.138785 0.398993 0.087549 Se\n0.495354 0.320701 0.458525 Se\n0.004647 0.541475 0.679298 Se\n0.683939 0.041476 0.320702 Se\n0.125327 0.101007 0.412451 Se\n0.816062 0.679297 0.958523 Se\n0.859194 0.672411 0.190066 Se\n0.917442 0.200624 0.584026 Se\n0.616185 0.042138 0.529905 Se\n0.546118 0.458523 0.179297 Se\n0.297908 0.084026 0.700624 Se\n0.962211 0.412454 0.398993 Se\n0.221673 0.827588 0.309933 Se\n0.841679 0.970095 0.042135 Se\n0.658322 0.957864 0.029904 Se\n0.883816 0.470094 0.957861 Se\n0.774580 0.179298 0.041475 Se\n0.725421 0.958524 0.820701 Se\n0.202093 0.299376 0.915974 Se\n0.537790 0.601006 0.587546 Se\n0.450742 0.190068 0.827587 Se\n0.353910 0.529905 0.457864 Se\n0.640807 0.809933 0.327588 Se\n0.688229 0.457861 0.970095 Se\n0.049259 0.172413 0.809932 Se\n0.531604 0.327587 0.690068 Se\n0.582559 0.415973 0.799376 Se\n0.361216 0.912451 0.601007 Se\n0.278328 0.690066 0.172411 Se\n0.226343 0.898993 0.912454 Se\n0.998527 0.584021 0.299381 Se\n0.146091 0.542135 0.470095 Se\n0.501474 0.700619 0.415979 Se\n0.953884 0.820702 0.541476 Se\n0.273658 0.087546 0.101007 Se\n0.118072 0.799381 0.084021 Se\n0.381929 0.915979 0.200619 Se\n",
"nsites": 52,
"nelements": 3,
"elements": [
"K",
"Pd",
"Se"
],
"chemical_system": "K-Pd-Se",
"density": 4.114371279104092,
"density_atomic": 0.033062996347318636,
"volume": 1572.7552171543316,
"volume_molar": 18.214140959091832,
"formula_full": "K8 Pd4 Se40",
"formula_reduced": "K2PdSe10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 1.2658596435897436,
"spacegroup": 122
},
{
"id": "jvasp-120472",
"created_at": "2022-09-04T14:38:50.898527Z",
"updated_at": "2022-09-04T14:38:50.898545Z",
"structure_string": "Nd2 Al20 Ru4\n1.0\n6.876896 0.011389 0.000000\n-0.814292 6.828525 0.000000\n0.000000 0.000000 9.216241\nNd Al Ru\n2 20 4\ndirect\n0.874698 0.125302 0.750000 Nd\n0.125303 0.874698 0.250000 Nd\n0.481875 0.219004 0.250000 Al\n0.518126 0.780997 0.750000 Al\n0.780997 0.518126 0.250000 Al\n0.219004 0.481875 0.750000 Al\n0.586743 0.856298 0.250000 Al\n0.413257 0.143703 0.750000 Al\n0.143703 0.413257 0.250000 Al\n0.856298 0.586743 0.750000 Al\n0.841072 0.158929 0.398222 Al\n0.158929 0.841072 0.601778 Al\n0.841072 0.158929 0.101778 Al\n0.226408 0.226408 -0.000000 Al\n0.773593 0.773593 -0.000000 Al\n0.773593 0.773593 0.500000 Al\n0.226408 0.226408 0.500000 Al\n0.623251 0.376749 0.952585 Al\n0.376749 0.623252 0.047415 Al\n0.376749 0.623252 0.452585 Al\n0.623251 0.376749 0.547415 Al\n0.158929 0.841072 0.898222 Al\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ru"
],
"chemical_system": "Al-Nd-Ru",
"density": 4.727592130995943,
"density_atomic": 0.060064021209810886,
"volume": 432.8714507671549,
"volume_molar": 10.026203105789296,
"formula_full": "Nd2 Al20 Ru4",
"formula_reduced": "Nd(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.561081576923077,
"spacegroup": 63
},
{
"id": "jvasp-29923",
"created_at": "2022-09-04T14:37:50.640874Z",
"updated_at": "2022-09-04T14:37:50.640884Z",
"structure_string": "Nb8 P4 S40\n1.0\n7.169928 0.000000 0.000000\n0.000000 13.121661 0.000000\n0.000000 0.000000 13.833313\nNb P S\n8 4 40\ndirect\n0.937695 0.917824 0.255343 Nb\n0.932471 0.208656 0.248162 Nb\n0.062305 0.582176 0.755343 Nb\n0.062305 0.417824 0.244657 Nb\n0.067529 0.291344 0.748162 Nb\n0.932471 0.791344 0.751838 Nb\n0.937695 0.082176 0.744656 Nb\n0.067529 0.708656 0.251838 Nb\n0.618166 0.942513 0.845150 P\n0.381834 0.557487 0.345150 P\n0.381834 0.442513 0.654850 P\n0.618166 0.057487 0.154850 P\n0.913491 0.800271 0.112588 S\n0.431071 0.309508 0.725403 S\n0.902105 0.328960 0.105823 S\n0.575427 0.927749 0.230720 S\n0.424573 0.572251 0.730720 S\n0.438553 0.071640 0.032507 S\n0.110126 0.433984 0.878456 S\n0.902105 0.671039 0.894177 S\n0.148916 0.934260 0.685684 S\n0.097896 0.171039 0.605823 S\n0.424573 0.427749 0.269280 S\n0.086509 0.699729 0.612588 S\n0.561448 0.571640 0.467493 S\n0.086509 0.300271 0.387412 S\n0.179493 0.848654 0.141465 S\n0.097896 0.828960 0.394177 S\n0.568929 0.190492 0.225403 S\n0.169041 0.720979 0.869925 S\n0.431071 0.690492 0.274597 S\n0.101737 0.440243 0.618901 S\n0.169041 0.279021 0.130075 S\n0.820507 0.348654 0.358535 S\n0.851084 0.565740 0.185684 S\n0.110126 0.566016 0.121544 S\n0.889874 0.066016 0.378456 S\n0.561448 0.428360 0.532507 S\n0.830960 0.220979 0.630075 S\n0.830960 0.779021 0.369925 S\n0.148916 0.065740 0.314316 S\n0.568929 0.809508 0.774597 S\n0.575427 0.072251 0.769280 S\n0.851084 0.434260 0.814316 S\n0.898263 0.059757 0.118901 S\n0.898263 0.940243 0.881099 S\n0.179493 0.151346 0.858535 S\n0.101737 0.559757 0.381099 S\n0.438553 0.928360 0.967493 S\n0.820507 0.651346 0.641465 S\n0.889874 0.933984 0.621543 S\n0.913491 0.199729 0.887412 S\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Nb",
"P",
"S"
],
"chemical_system": "Nb-P-S",
"density": 2.742877759926781,
"density_atomic": 0.03995522052090662,
"volume": 1301.4569641228968,
"volume_molar": 15.072225059673757,
"formula_full": "Nb8 P4 S40",
"formula_reduced": "Nb2PS10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 3.0631480230769226,
"spacegroup": 18
},
{
"id": "jvasp-23448",
"created_at": "2022-09-04T14:37:40.593747Z",
"updated_at": "2022-09-04T14:37:40.593777Z",
"structure_string": "U2 Al20 Fe4\n1.0\n6.738770 -0.022419 -0.000000\n-0.926985 6.674746 -0.000000\n0.000000 0.000000 8.975663\nU Al Fe\n2 20 4\ndirect\n0.121202 0.878800 0.750000 U\n0.878799 0.121201 0.250000 U\n0.154995 0.845006 0.098046 Al\n0.845006 0.154994 0.598045 Al\n0.587992 0.864502 0.750000 Al\n0.412009 0.135498 0.250000 Al\n0.864502 0.587992 0.250000 Al\n0.135499 0.412009 0.750000 Al\n0.627250 0.372750 0.047878 Al\n0.372751 0.627250 0.952122 Al\n0.477626 0.219262 0.750000 Al\n0.776156 0.776156 0.500000 Al\n0.223845 0.223845 0.000000 Al\n0.223845 0.223845 0.500000 Al\n0.776156 0.776156 0.000000 Al\n0.154995 0.845006 0.401954 Al\n0.845006 0.154994 0.901954 Al\n0.780738 0.522375 0.750000 Al\n0.219262 0.477626 0.250000 Al\n0.522375 0.780739 0.250000 Al\n0.627250 0.372750 0.452122 Al\n0.372751 0.627250 0.547878 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-U",
"density": 5.098744329369198,
"density_atomic": 0.06443059429872385,
"volume": 403.53500201246743,
"volume_molar": 9.346709937330624,
"formula_full": "U2 Al20 Fe4",
"formula_reduced": "U(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.789849615384615,
"spacegroup": 63
},
{
"id": "jvasp-10919",
"created_at": "2022-09-04T14:37:11.840037Z",
"updated_at": "2022-09-04T14:37:11.840052Z",
"structure_string": "Ca1 Cr2 F10\n1.0\n5.114720 -0.038047 1.911184\n1.094021 4.996492 1.911184\n-0.027920 -0.022298 7.407364\nCa Cr F\n1 2 10\ndirect\n0.458011 0.541988 0.250000 Ca\n0.010434 0.009527 0.991274 Cr\n0.990473 0.989565 0.508725 Cr\n0.811786 0.733193 0.625380 F\n0.266806 0.188213 0.874618 F\n0.175720 0.263554 0.377970 F\n0.736446 0.824280 0.122029 F\n0.924939 0.075060 0.749999 F\n0.079620 0.920379 0.250000 F\n0.762452 0.309297 0.038358 F\n0.690702 0.237548 0.461641 F\n0.244890 0.694192 0.978252 F\n0.305807 0.755109 0.521746 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 2.918783760032968,
"density_atomic": 0.06840363768866557,
"volume": 190.04837226886386,
"volume_molar": 8.80383114624599,
"formula_full": "Ca1 Cr2 F10",
"formula_reduced": "CaCr2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.5025021573076918,
"spacegroup": 5
}
]
}